Molecule

ID:105824

General Information
Structure
MolImage
Molecular Formula
CaCl₂O₂
Molecular Mass
142.9828
Exact Mass
141.89012558
Charge
0
InChI
InChI=1S/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
InChIKey
LLSDKQJKOVVTOJ-UHFFFAOYSA-L
Canonic Smiles
O.O.[Cl-].[Cl-].[Ca+2]
Isomeric Smiles
O.O.[Cl-].[Cl-].[Ca+2]
Calculated Properties
JChem
Acid pKa
15.7
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.652
LogD (pH = 7.4)
-0.652
Log P
-0.652
Molar Refractivity
3.7
Polarizability
1.4714895
Polar Surface Area
25.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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